{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.454398 -1.1643467 1.1474449 ] [ -0.9624668 1.5944592 -0.3106989 ] [ -4.4904169 1.5206543 -3.2065977 ] [ -0.157601 2.5830115 1.0275116 ] [ 2.7443424 -2.4792952 -1.3487303 ] [ -0.990014 -1.5081082 1.7396412 ] [ 2.4017582 -0.5463749 0.9514292 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.330202472938278e-09 -1.865489061245631e-09 1.838409392436194e-09 ] [ -1.542041805256189e-09 2.554605253059471e-09 -4.977945136882771e-10 ] [ -7.194440974825212e-09 2.436356767778989e-09 -5.137535867251052e-09 ] [ -2.525046376147008e-10 4.138440636557539e-09 1.646255063120801e-09 ] [ 4.396921232750161e-09 -3.972268805501661e-09 -2.16090415442457e-09 ] [ -1.586177285064691e-09 -2.41625569967677e-09 2.787212459220457e-09 ] [ 3.848040836854691e-09 -8.753890909719379e-10 1.524357620586447e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.846189 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.621668961497813e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8104718 2.8751385 3.2595662 ] [ 2.8356579 5.5525306 1.0099028 ] [ 1.048272 4.1643989 1.4734356 ] [ 2.0169134 5.3273809 3.4205613 ] [ 3.1240212 2.8610987 1.167884 ] [ 4.8490203 4.3824507 1.5299085 ] [ 3.9500424 3.6675346 3.6212945 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8104718e-10 2.8751385e-10 3.2595662e-10 ] [ 2.8356579e-10 5.5525306e-10 1.0099028e-10 ] [ 1.048272e-10 4.1643989e-10 1.4734356e-10 ] [ 2.0169134e-10 5.3273809e-10 3.4205613e-10 ] [ 3.1240212e-10 2.8610987e-10 1.167884e-10 ] [ 4.8490203e-10 4.3824507e-10 1.5299085e-10 ] [ 3.9500424e-10 3.667534600000001e-10 3.6212945e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.4e-06 -1.25e-05 -4.35e-05 ] [ -2.72e-05 1.31e-05 3.97e-05 ] [ 4.32e-05 2.54e-05 3.89e-05 ] [ 2.32e-05 -9.13e-05 -6.24e-05 ] [ -5.3e-06 4.79e-05 6.96e-05 ] [ -5.9e-06 -7.3e-05 2e-07 ] [ -2.66e-05 9.04e-05 -4.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.24304726912e-15 -2.002720776e-14 -6.969468300480001e-14 ] [ -4.357920408576e-14 2.098851373248e-14 6.360641184576e-14 ] [ 6.921403001856e-14 4.069528616832e-14 6.232467054911999e-14 ] [ 3.717049760256e-14 -1.4627872547904e-13 -9.997582113791999e-14 ] [ -8.491536090240001e-15 7.674426013632e-14 1.1151149280768e-13 ] [ -9.45284206272e-15 -1.169588933184e-13 3.2043532416e-16 ] [ -4.261789811328e-14 1.4483676652032e-13 -6.8092506384e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.196266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.158410466225794e-18 } }